UCSF

ZINC20406690

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 19 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.54 1.11 -49.06 3 5 1 59 269.365 9
Mid Mid (pH 6-8) 0.54 2.26 -45.05 3 5 1 55 269.365 9

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )